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AquaSAXS specifications

Information


Unique identifier OMICS_10453
Name AquaSAXS
Interface Web user interface
Restrictions to use None
Computer skills Basic
Stability Stable
Maintained Yes

Maintainer


  • person_outline Marc Delarue <>

Publication for AquaSAXS

AquaSAXS in publications

 (6)
PMCID: 5570125
PMID: 28531275
DOI: 10.1093/nar/gkx451

[…] models were energy minimized using phenix () and were manually placed in the saxs envelope. to evaluate the fit of various structural models to the experimental data (), we used crysol () and aquasaxs () that use different algorithms for modeling the primary hydration shell., figures for the atomic models were created using pymol ()., the full-length b. subtilis glyqs t-box leader is 223 […]

PMCID: 5341065
PMID: 28272524
DOI: 10.1038/srep44116

[…] we conducted comparing several different saxs predictors and their ability to reproduce the experimental chey* native state scattering profile. the predictors tested were crysol, foxs, axes, and aquasaxs. all adjustable parameters for each predictor were set to their default values for the comparison. overall, crysol gave the best agreement with experiment () and was therefore chosen […]

PMCID: 5131287
PMID: 27905545
DOI: 10.1038/srep38259

[…] the basis of a dedicated solver, aquasol, built on an original pb solver. it has previously been applied e.g. to the computation of saxs profiles based on an extension of the aquasol solver by the aquasaxs module, and it was also used to predict free energies of amyloid fibril aggregates., in this work, we apply both md simulations and the dpbl model as implemented in the aquasol server […]

PMCID: 5388412
PMID: 28180305
DOI: 10.1093/nar/gkw1183

[…] the capacity of several programs to predict the theoretical saxs curve from the 3d structure of pcna was evaluated. in addition to waxsis (see below), we tested crysol (), axes (), foxs (), aquasaxs () and sastbx ()., we used gromacs 5.0.2 () to set up and run the molecular dynamics of pcna starting from the crystal structure (), where the flexible n- and c-terminal tails were added […]

PMCID: 3427135
PMID: 22800408
DOI: 10.1186/1472-6807-12-17

[…] ile using χ, but cannot compare the fit of one model against two different experimental profiles., to assess the performance of different profile calculation programs (zernike polynomials, fast-saxs, aquasaxs, crysol and foxs), we compute the theoretical scattering for a model protein glucose isomerase [pdb:2g4j] (figure ) and fit it to the experimental profile. a high accuracy saxs profile (qmax  […]


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AquaSAXS institution(s)
Institut Pasteur, Unit of Structural Dynamics of Macromolecules, CNRS, URA 2185, Paris, France

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